3H-1,3-benzothiazole-2-thione; 1,3-dinitrobenzene

Systemtic Name: 3H-1,3-benzothiazole-2-thione; 1,3-dinitrobenzene Openeye Name: 3H-1,3-benzothiazole-2-thione; 1,3-dinitrobenzene CAS Name: 3H-1,3-benzothiazole-2-thione; 1,3-dinitrobenzene IUPAC Name: 3H-1,3-benzothiazole-2-thione; 1,3-dinitrobenzene Traditional Name: 3H-1,3-benzothiazole-2-thione; 1,3-dinitrobenzene Formula: C13H9N3O4S2 MolecularWeight: 335.35826

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=S)S2.C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)NC(=S)S2.C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C7H5NS2.C6H4N2O4/c9-7-8-5-3-1-2-4-6(5)10-7;9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H,(H,8,9);1-4H